SCHEMBL1499591

SCHEMBL1499591

CCN(CC)C(C)CCCNC(=O)c1ccccc1Nc1ccc(N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.54
▸ MT-CO2 P00403 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ APP P05067 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12967129 0.77 PTGS2 (0.47) PTGS2MT-CO2HTTHDAC3HDAC1
SCHEMBL1525994 0.76 TP53 (0.59) PTGS2HTTKMT2AMEN1KDM4E
SCHEMBL1499589 0.75 LMNA (0.47) PTGS2HTTAPPHDAC3HDAC1
SCHEMBL29973685 0.75 LMNA (0.47) PTGS2HTTAPPHDAC3HDAC1
SCHEMBL1499518 0.73 PTGS2 (0.57) PTGS2MT-CO2PTGS1
SCHEMBL12964827 0.72 MT-CO2 (0.55) PTGS2MT-CO2L3MBTL1TSHRHTT
SCHEMBL12964680 0.71 MT-CO2 (0.58) PTGS2MT-CO2L3MBTL1TSHRHTT
SCHEMBL1499311 0.70 KMT2A (0.41) PTGS2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12767204 0.69 KMT2A (0.65) PTGS2TSHRAPPKMT2APTGS1
SCHEMBL11276866 0.69 ALDH1A1 (0.63) TSHRHTTHDAC3HDAC1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011509280-A — — 2011-03-24 — — JP claimed
EP-2235000-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES Centre National de la Recherche Scientifique (CNRS) (FR) 2010-10-06 — — EP claimed
WO-2009087238-A9 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — WO claimed
WO-2009087238-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-16 — — WO claimed
EP-2235000-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES Centre National de la Recherche Scientifique (CNRS) (FR) 2010-10-06 — — EP disclosed
WO-2009087238-A9 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — WO disclosed
WO-2009087238-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-16 — — WO disclosed
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